Materials discovery via topologically-correct display of reduced-dimension data

Abstract

Authors describe and demonstrate a `ratio-conserving' mapping procedure for attaining reduced-dimension representations of multidimensional data. This procedure has a theoretical basis for topological correctness in that the ratio of the metrics in the two representations is maintained constant throughout. It is also demonstrated that comparing the reduced-dimension depiction of data with the results of clustering and spanning tree operations in the full-dimension space can validate such reduced-dimension mappings. Demonstrations are carried out using a body of semiconductor data, with five independent variables and one dependent variable.